pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	AttenGpKa training set	1	0	CCCCCCCCCCCCCCCCNc1c2ccccc2[nH+]c2ccccc12,CCCCCCCCCCCCCCCC[NH2+]c1c2ccccc2nc2ccccc12	CCCCCCCCCCCCCCCCNc1c2ccccc2nc2ccccc12	mol26762	CCCCCCCCCCCCCCCCNc1c2ccccc2nc2ccccc12